11 11 0 0 0 0 0 0 0 0 1 V2000 7.1500 -6.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -6.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 -7.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 -6.8669 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2494 -7.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 -6.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 -6.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 -6.1524 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4740 -5.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 -5.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4215 -6.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 6 8 1 0 0 0 0 8 7 1 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 10 9 1 0 0 0 0 7 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00137391 > ALDRICH > Q1905 > FLUKA > 22711 > - > - > 16269521 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.9067 -0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 0.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 -0.6823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -0.0909 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 -0.4850 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 1 3 1 0 6 2 1 0 4 2 1 0 3 4 1 0 5 6 1 0 4 7 1 0 5 8 1 0 7 8 1 0 7 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 10 M SMT 1 • HCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012728 > ALDRICH > 125210 > - > - > - > - > 16269521 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 5.5500 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -6.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1667 -5.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7000 -6.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -5.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -5.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 10 6 1 0 0 0 0 9 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00167978 > ALDRICH > M46128 > - > - > - > - > 16269521 $$$$ 19 21 0 0 0 1 V2000 -1.3586 -0.0828 0.0000 C 0 0 3 0 0 0 0 0 0 -2.3138 0.4103 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6276 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3138 -0.0966 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5793 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5000 1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8069 -0.1828 0.0000 N 0 0 3 0 0 0 0 0 0 0.6069 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8862 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 1.6448 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0.6069 1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 2.6000 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 1.6448 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 3.5724 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 3.5724 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 4.5103 0.4034 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.5931 1.6103 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 8 11 1 0 0 0 8 12 2 0 0 0 11 13 1 0 0 0 11 14 2 0 0 0 13 15 2 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 16 17 2 0 0 0 2 19 1 6 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191929 > ALDRICH > 419192 > - > - > - > - > 16269521 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3829 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -0.6630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3829 0.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 6 5 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 7 1 0 0 0 5 9 1 0 0 0 6 10 1 6 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00151326 > ALDRICH > 253340 > FLUKA > 55121 > - > - > 16269521 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 7.3375 -6.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -6.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 -7.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0382 -7.5377 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8351 -7.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 -7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -6.8232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0597 -6.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 -5.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 6 8 1 0 0 0 0 8 7 1 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 10 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012727 > ALDRICH > 135917 > FLUKA > 22712 > - > - > 16269521 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.0564 -3.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -3.6099 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0 4.6502 -3.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -3.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 -3.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2658 -2.8954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8748 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 -1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8223 -2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -3.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5583 -3.4333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 1 1 0 0 0 4 1 1 1 0 0 0 5 3 1 1 0 0 0 4 6 1 0 0 0 0 6 5 1 0 0 0 0 2 7 1 1 0 0 0 6 8 1 0 0 0 0 8 7 1 1 0 0 0 5 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012729 > ALDRICH > Q1883 > - > - > - > - > 16269521 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.6956 -0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -0.3278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3107 0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 0.4878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.2149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 -1.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6956 -0.6283 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 6 5 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 7 1 0 0 0 5 9 1 0 0 0 6 10 1 6 0 0 12 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SMT 1 • 2HCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00137395 > ALDRICH > 100358 > FLUKA > 07352 > - > - > 16269521 $$$$ 8 9 0 0 0 0 0 0 0 0 1 V2000 -1.0031 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -0.6630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 6 5 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006690 > ALDRICH > 197602 > FLUKA > 22709 > - > - > 16269521 $$$$